SCHEMBL6138124

SCHEMBL6138124

Cc1cc(I)ccc1Nc1cc(F)c(S(N)(=O)=O)cc1-c1cc(N)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
PIK3CD O00329 3/20 0.33
PIK3CB P42338 3/20 0.33
PIK3CG P48736 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA7 P43166 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAP2K1 Q02750 4/20 0.31
ILK Q13418 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6137923 0.89 IDO1 (0.35) IDO1PIK3CDPIK3CBPIK3CGMEN1
SCHEMBL6137937 0.89 MAP2K1 (0.35) CA1CA2MEN1KMT2AMAP2K1
SCHEMBL6138035 0.89 IDO1 (0.38) IDO1PIK3CDPIK3CBPIK3CGCA2
SCHEMBL6138026 0.86 SOS1 (0.38) PIK3CDPIK3CBPIK3CGCA1CA2
SCHEMBL6138069 0.85 MEN1 (0.36) IDO1PIK3CDPIK3CBPIK3CGCA1
SCHEMBL6137963 0.82 IDO1 (0.36) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL6138054 0.81 ALOX5AP (0.39) IDO1CA1CA2MEN1KMT2A
SCHEMBL6137993 0.81 IDO1 (0.38) IDO1CA1CA2MEN1KMT2A
SCHEMBL6137733 0.79 IDO1 (0.38) IDO1CA2MEN1KMT2ATDP1
SCHEMBL6138258 0.79 IDO1 (0.33) IDO1MEN1KMT2ATDP1MAP2K1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP disclosed
US-6545030-B1 Treating proliferative diseases, the sequelae of a stroke or heart failure, xenograft rejection, osteoarthritis, HIV, rheumatoid arthritis, cystic fibrosis, hepatomegaly, shock,cardiomegaly, Alzheimer's disease, diabetes WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030004193-A1 1-Heterocycle substituted diarylamines IDH3A, CCNA1, HCCS IDO1 244/4885PIK3CD 2813/4885PIK3CB 2093/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.